REMARK  Name = BDB053854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.487  -2.588  -0.380  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1       -0.518  -1.999   0.399  0.00  0.00    +0.223 C 
ATOM      3  O   LIG    1       -0.750  -2.400   1.544  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.393  -0.916  -0.248  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -1.843   0.169   0.758  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1       -2.917  -0.367   1.735  0.00  0.00    +0.055 C 
ATOM      7  C   LIG    1       -3.780  -1.489   1.151  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1       -3.887  -1.397  -0.299  0.00  0.00    -0.315 NA
ATOM      9  H   LIG    1       -4.545  -2.099  -0.642  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -2.583  -1.605  -0.944  0.00  0.00    +0.096 C 
BRANCH   5  11
ATOM     11  C   LIG    1       -2.237   1.448  -0.019  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -1.221   2.268  -0.561  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -1.533   3.419  -1.279  0.00  0.00    +0.159 A 
ATOM     14  F   LIG    1       -0.542   4.173  -1.775  0.00  0.00    -0.202 F 
ATOM     15  C   LIG    1       -2.856   3.779  -1.481  0.00  0.00    +0.158 A 
ATOM     16  F   LIG    1       -3.158   4.886  -2.174  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -3.878   2.992  -0.970  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -3.571   1.833  -0.246  0.00  0.00    +0.009 A 
ENDBRANCH   5  11
BRANCH   5  19
ATOM     19  O   LIG    1       -0.703   0.588   1.537  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1       -1.044   1.031   2.334  0.00  0.00    +0.211 HD
ENDBRANCH   5  19
ENDBRANCH   2   4
BRANCH   1  21
ATOM     21  C   LIG    1        1.266  -3.670   0.193  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        0.608  -4.959   0.623  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        1.528  -4.954  -0.556  0.00  0.00    +0.024 C 
ENDBRANCH   1  21
BRANCH   1  24
ATOM     24  C   LIG    1        0.942  -2.072  -1.680  0.00  0.00    +0.144 C 
BRANCH  24  27
ATOM     25  C   LIG    1        2.987   0.936  -0.410  0.00  0.00    -0.045 A 
ATOM     26  C   LIG    1        2.306  -0.291  -0.454  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        1.699  -0.756  -1.636  0.00  0.00    -0.012 A 
ATOM     28  C   LIG    1        1.831   0.030  -2.795  0.00  0.00    +0.046 A 
ATOM     29 CL   LIG    1        1.165  -0.465  -4.312  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        2.507   1.252  -2.760  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        3.076   1.707  -1.572  0.00  0.00    +0.005 A 
BRANCH  25  32
ATOM     32  C   LIG    1        3.593   1.428   0.881  0.00  0.00    +0.063 C 
BRANCH  32  33
ATOM     33  C   LIG    1        2.538   1.934   1.868  0.00  0.00    +0.164 C 
BRANCH  33  35
ATOM     34  C   LIG    1        3.503   3.841   2.906  0.00  0.00    +0.193 C 
ATOM     35  O   LIG    1        3.151   2.471   3.044  0.00  0.00    -0.383 OA
ENDBRANCH  33  35
ENDBRANCH  32  33
ENDBRANCH  25  32
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 9